N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-morpholinosulfonyl-benzamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C21H23ClN2O6S/c22-18-11-15(12-19-20(18)30-8-2-7-29-19)14-23-21(25)16-3-1-4-17(13-16)31(26,27)24-5-9-28-10-6-24/h1,3-4,11-13H,2,5-10,14H2,(H,23,25)